Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SKP2 | Q13309 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.36 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.36 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9318629 | 0.96 | RARB (0.43) | SKP2RARBCYP3A4TP53GCGR | |
| SCHEMBL9319032 | 0.94 | RARB (0.45) | SKP2RARBCYP3A4TP53GCGR | |
| SCHEMBL9320448 | 0.94 | RARB (0.45) | SKP2RARBCYP3A4TP53GCGR | |
| SCHEMBL9320471 | 0.94 | RARB (0.45) | SKP2RARBCYP3A4TP53GCGR | |
| SCHEMBL9318103 | 0.94 | RARB (0.45) | SKP2RARBCYP3A4TP53GCGR | |
| SCHEMBL9318692 | 0.94 | RARB (0.45) | SKP2RARBCYP3A4TP53GCGR | |
| SCHEMBL9318365 | 0.94 | RARB (0.45) | SKP2RARBCYP3A4TP53GCGR | |
| SCHEMBL9320383 | 0.94 | RARB (0.45) | SKP2RARBCYP3A4TP53GCGR | |
| SCHEMBL9319749 | 0.91 | CNR1 (0.39) | SKP2RARBNPC1RAB9ATP53 | |
| SCHEMBL9318170 | 0.84 | ALDH1A1 (0.35) | NPC1MAPK1RAB9AHPGDCYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5292454-A | Trifluorotoluene compounds, and a liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-03-08 | — | — | US | disclosed |